(2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C22H25F2NO3 — CID 134396372

About (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

(2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 134396372) has the molecular formula C22H25F2NO3 and a molecular weight of 389.44 g/mol. Its IUPAC name is (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

• Compound Name: (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
• PubChem CID: 134396372
• Molecular Formula: C22H25F2NO3
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.18
• IUPAC Name: (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
• SMILES: C=C(OCC)c1cc(-c2ccc(C)cc2F)c2c(n1)O[C@@H](COC(C)F)CC2
• InChI: InChI=1S/C22H25F2NO3/c1-5-26-14(3)21-11-19(17-8-6-13(2)10-20(17)24)18-9-7-16(12-27-15(4)23)28-22(18)25-21/h6,8,10-11,15-16H,3,5,7,9,12H2,1-2,4H3/t15?,16-/m1/s1
• InChIKey: VVFZUJMLTOLWBK-OEMAIJDKSA-N
• XLogP: 5.23
• TPSA: 40.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?

The IUPAC name of (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 134396372) is (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

What is the SMILES notation for (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?

The canonical SMILES for (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is C=C(OCC)c1cc(-c2ccc(C)cc2F)c2c(n1)O[C@@H](COC(C)F)CC2.

What is the InChIKey of (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?

The InChIKey is VVFZUJMLTOLWBK-OEMAIJDKSA-N. The full InChI is InChI=1S/C22H25F2NO3/c1-5-26-14(3)21-11-19(17-8-6-13(2)10-20(17)24)18-9-7-16(12-27-15(4)23)28-22(18)25-21/h6,8,10-11,15-16H,3,5,7,9,12H2,1-2,4H3/t15?,16-/m1/s1.

What are the key properties of (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?

(2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 389.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-7-(1-ethoxyethenyl)-2-(1-fluoroethoxymethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 134396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).